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2-Pyrrolidinone,1-(4-nitrophenyl)-

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Name

2-Pyrrolidinone,1-(4-nitrophenyl)-

EINECS N/A
CAS No. 13691-26-4 Density 1.353 g/cm3
PSA 66.13000 LogP 2.30980
Solubility insoluble in water Melting Point 128-130 °C
Formula C10H10N2O3 Boiling Point 477.8 °C at 760 mmHg
Molecular Weight 206.201 Flash Point 242.8 °C
Transport Information N/A Appearance brown-orange to brown crystalline powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 13691-26-4 (1-(4-NITROPHENYL)-2-PYRROLIDINONE) Hazard Symbols N/A
Synonyms

2-Pyrrolidinone,1-(p-nitrophenyl)- (6CI,8CI);1-(4-Nitrophenyl)pyrrolidin-2-one;1-(p-Nitrophenyl)-2-pyrrolidone;4-(2-Oxo-1-pyrrolidinyl)nitrobenzene;NSC172147;

Article Data 11

2-Pyrrolidinone,1-(4-nitrophenyl)- Specification

The 2-Pyrrolidinone,1-(4-nitrophenyl)-, with CAS registry number 13691-26-4, has the systematic name of 1-(4-nitrophenyl)pyrrolidin-2-one. Besides this, it is also called 1-(p-Nitrophenyl)-2-pyrrolidone. This chemical is a kind of brown-orange to brown crystalline powder. When use this chemical, please avoid contact with skin and eyes.

Physical properties of 2-Pyrrolidinone,1-(4-nitrophenyl)-: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 66.13 Å2; (7)Index of Refraction: 1.614; (8)Molar Refractivity: 53.13 cm3; (9)Molar Volume: 152.3 cm3; (10)Polarizability: 21.06×10-24cm3; (11)Surface Tension: 59.4 dyne/cm; (12)Density: 1.353 g/cm3; (13)Flash Point: 242.8 °C; (14)Enthalpy of Vaporization: 74.18 kJ/mol; (15)Boiling Point: 477.8 °C at 760 mmHg; (16)Vapour Pressure: 2.71E-09 mmHg at 25°C.

Uses of 2-Pyrrolidinone,1-(4-nitrophenyl)-: it can be used to produce 1-(4-nitrophenyl)pyrrolidine-2-thione. This reaction will need reagent P2S5 and solvent benzene. The yield is about 96%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)N2C(=O)CCC2
(2)InChI: InChI=1/C10H10N2O3/c13-10-2-1-7-11(10)8-3-5-9(6-4-8)12(14)15/h3-6H,1-2,7H2
(3)InChIKey: YYYMDBUHBOEDTC-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C10H10N2O3/c13-10-2-1-7-11(10)8-3-5-9(6-4-8)12(14)15/h3-6H,1-2,7H2
(5)Std. InChIKey: YYYMDBUHBOEDTC-UHFFFAOYSA-N

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